N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine

C52H42N2 — CID 157218624

IUPACN-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc4c5c3c3ccccc3n5-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C52H42N2/c1-3-13-36(14-4-1)37-23-25-41(26-24-37)53(46-20-10-7-17-42(46)38-15-5-2-6-16-38)49-28-27-45-51-50(49)43-18-8-11-21-47(43)54(51)48-22-12-9-19-44(48)52(45)39-30-34-29-35(32-39)33-40(52)31-34/h1-28,34-35,39-40H,29-33H2
InChIKeyBDYMMFPZRAERSR-UHFFFAOYSA-N
MW694.92 g/mol
LogP13.64
Rot. Bonds5

About N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine

N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine (PubChem CID 157218624) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
PubChem CID157218624
Molecular FormulaC52H42N2
Molecular Weight694.92 g/mol
Exact Mass694.33
IUPAC NameN-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc4c5c3c3ccccc3n5-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C52H42N2/c1-3-13-36(14-4-1)37-23-25-41(26-24-37)53(46-20-10-7-17-42(46)38-15-5-2-6-16-38)49-28-27-45-51-50(49)43-18-8-11-21-47(43)54(51)48-22-12-9-19-44(48)52(45)39-30-34-29-35(32-39)33-40(52)31-34/h1-28,34-35,39-40H,29-33H2
InChIKeyBDYMMFPZRAERSR-UHFFFAOYSA-N
XLogP13.64
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine with MolForge

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Related Compounds

9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
CID 158992270
N-(3-dibenzothiophen-4-ylphenyl)-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
CID 158040151
N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
CID 158040152
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
CID 158992271
N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine
CID 158024672
N-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567475
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine
CID 158256147
CID 159039073
CID 159039073
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine
CID 158198102
N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-amine;9-phenyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)carbazol-4-amine;9-phenyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)carbazol-4-amine
CID 159156453
8'-carbazol-9-yl-N-naphthalen-2-yl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 156578476

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine (CID 157218624) is N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3ccc4c5c3c3ccccc3n5-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine?
The InChIKey is BDYMMFPZRAERSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2/c1-3-13-36(14-4-1)37-23-25-41(26-24-37)53(46-20-10-7-17-42(46)38-15-5-2-6-16-38)49-28-27-45-51-50(49)43-18-8-11-21-47(43)54(51)48-22-12-9-19-44(48)52(45)39-30-34-29-35(32-39)33-40(52)31-34/h1-28,34-35,39-40H,29-33H2.
What are the key properties of N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine?
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine has a molecular weight of 694.92 g/mol, XLogP of 13.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine is sourced from PubChem (CID 157218624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).